4-(2-aminoethyl)-2,6-dimethoxyphenol

4-(2-aminoethyl)-2,6-dimethoxyphenol

CAS: 2413-00-5

Formula: C10H15NO3

SMILES: COC1=CC(CCN)=CC(OC)=C1O

IUPAC: 4-(2-aminoethyl)-2,6-dimethoxyphenol

InChI: InChI=1S/C10H15NO3/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12/h5-6,12H,3-4,11H2,1-2H3

Composition: C (60.90%), H (7.67%), N (7.10%), O (24.34%)

Molar Mass: 197.234

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.105193347
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ISVPPMXWQFCRSS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.19
Topological Polar Surface Area	64.71
Polarizability	21.11
Ring Count	1
Rotatable Bond Count	4

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